COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.659  -4.676  -0.051  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.317  -3.573  -0.756  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.405  -2.695  -0.737  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.546   2.617  -0.352  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.229   3.110  -0.274  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.234   4.163   0.595  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.956   5.338   1.987  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.044   5.000   0.986  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.050   2.581  -1.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.718   3.085  -2.253  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.617   2.596  -2.941  1.00  0.00           C  
HETATM   12  C   UNL     1       0.160   1.611  -2.403  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.150   1.081  -1.142  1.00  0.00           C  
HETATM   14  C   UNL     1       0.444   0.079  -0.337  1.00  0.00           C  
HETATM   15  C   UNL     1       1.669  -0.728  -0.682  1.00  0.00           C  
HETATM   16  C   UNL     1       2.917  -0.004  -0.174  1.00  0.00           C  
HETATM   17  C   UNL     1       4.161  -0.824  -0.524  1.00  0.00           C  
HETATM   18  C   UNL     1       6.579  -1.941  -0.940  1.00  0.00           C  
HETATM   19  C   UNL     1       8.956  -0.780  -0.091  1.00  0.00           C  
HETATM   20  C   UNL     1       8.876   1.646   1.250  1.00  0.00           C  
HETATM   21  C   UNL     1      10.094   1.016   1.004  1.00  0.00           C  
HETATM   22  C   UNL     1      10.146  -0.172   0.342  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.015  -0.946   1.912  1.00  0.00           C  
HETATM   24  O   UNL     1       0.935  -1.703   1.853  1.00  0.00           O  
HETATM   25  OXT UNL     1      -0.817  -0.955   2.996  1.00  0.00           O  
HETATM   26  CA  UNL     1      -0.289  -0.023   0.803  1.00  0.00           C  
HETATM   27  O   UNL     1       5.326  -0.148  -0.049  1.00  0.00           O  
HETATM   28  C   UNL     1       6.523  -0.746  -0.280  1.00  0.00           C  
HETATM   29  C   UNL     1       7.718  -0.138   0.160  1.00  0.00           C  
HETATM   30  C   UNL     1       7.703   1.089   0.841  1.00  0.00           C  
HETATM   31  C   UNL     1       8.970  -2.006  -0.778  1.00  0.00           C  
HETATM   32  C   UNL     1       7.798  -2.568  -1.184  1.00  0.00           C  
HETATM   33  N   UNL     1      -1.332   0.882   0.752  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.260   1.573  -0.432  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.498   4.319   1.038  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.299   3.346   0.429  1.00  0.00           N  
HETATM   37  C   UNL     1      -5.007   1.455  -1.193  1.00  0.00           C  
HETATM   38  S   UNL     1      -4.869  -0.079  -0.235  1.00  0.00           S  
HETATM   39  C   UNL     1      -5.459  -1.341  -1.396  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.366  -3.250  -0.045  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.921  -4.504   0.395  1.00  0.00           N  
HETATM   42  C   UNL     1      -6.688  -5.456   1.202  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.789  -5.883   0.189  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.370  -3.401  -1.247  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.882   4.948   3.002  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.334   6.227   1.893  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.993   5.595   1.771  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.952   5.843   0.301  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.178   5.370   2.002  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.140   4.392   0.937  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.322   3.865  -2.694  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.372   2.999  -3.912  1.00  0.00           H  
HETATM   53  H   UNL     1       1.014   1.239  -2.949  1.00  0.00           H  
HETATM   54  H   UNL     1       1.602  -1.709  -0.213  1.00  0.00           H  
HETATM   55  H   UNL     1       1.733  -0.847  -1.764  1.00  0.00           H  
HETATM   56  H   UNL     1       2.985   0.977  -0.643  1.00  0.00           H  
HETATM   57  H   UNL     1       2.853   0.115   0.908  1.00  0.00           H  
HETATM   58  H   UNL     1       4.093  -1.805  -0.054  1.00  0.00           H  
HETATM   59  H   UNL     1       4.225  -0.942  -1.606  1.00  0.00           H  
HETATM   60  H   UNL     1       5.664  -2.408  -1.273  1.00  0.00           H  
HETATM   61  H   UNL     1       8.862   2.589   1.777  1.00  0.00           H  
HETATM   62  H   UNL     1      11.010   1.477   1.343  1.00  0.00           H  
HETATM   63  H   UNL     1      11.098  -0.646   0.151  1.00  0.00           H  
HETATM   64  HXT UNL     1      -0.597  -1.580   3.701  1.00  0.00           H  
HETATM   65  H   UNL     1       6.766   1.589   1.039  1.00  0.00           H  
HETATM   66  H   UNL     1       9.908  -2.502  -0.983  1.00  0.00           H  
HETATM   67  H   UNL     1       7.815  -3.514  -1.704  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.002   1.010   1.442  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.046   1.608  -1.486  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.385   1.383  -2.085  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.826  -1.342  -2.283  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.487  -1.117  -1.684  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.246  -6.123   0.546  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.005  -6.040   1.819  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.382  -4.912   1.843  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.214  -5.740   1.104  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.416  -6.768   0.290  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.108  -6.013  -0.652  1.00  0.00           H  
CONECT    1    2    2   41   43                                       
CONECT    2    3    1    1   44                                       
CONECT    3   39   40   40    2                                       
CONECT    4   36   36    5   37                                       
CONECT    5    6    6    4    9                                       
CONECT    6   35    8    5    5                                       
CONECT    7   35   45   46   47                                       
CONECT    8    6   48   49   50                                       
CONECT    9    5   34   34   10                                       
CONECT   10    9   11   11   51                                       
CONECT   11   10   10   12   52                                       
CONECT   12   13   13   11   53                                       
CONECT   13   34   14   12   12                                       
CONECT   14   26   26   13   15                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   27   58   59                                       
CONECT   18   28   28   32   60                                       
CONECT   19   29   31   22   22                                       
CONECT   20   30   21   21   61                                       
CONECT   21   20   20   22   62                                       
CONECT   22   19   19   21   63                                       
CONECT   23   24   24   25   26                                       
CONECT   24   23   23                                                 
CONECT   25   23   64                                                 
CONECT   26   23   33   14   14                                       
CONECT   27   17   28                                                 
CONECT   28   27   18   18   29                                       
CONECT   29   28   30   30   19                                       
CONECT   30   29   29   20   65                                       
CONECT   31   32   32   19   66                                       
CONECT   32   18   31   31   67                                       
CONECT   33   26   34   68                                            
CONECT   34   33    9    9   13                                       
CONECT   35    7   36    6                                            
CONECT   36   35    4    4                                            
CONECT   37    4   38   69   70                                       
CONECT   38   37   39                                                 
CONECT   39   38    3   71   72                                       
CONECT   40    3    3   41                                            
CONECT   41   40    1   42                                            
CONECT   42   41   73   74   75                                       
CONECT   43    1   76   77   78                                       
CONECT   44    2                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   25                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
